Vitas-M small molecule compound

3-(4-bromophenyl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK045836
SMILES Brc1ccc(cc1)n1c(SCc2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)c1CCCCc1s2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C23H18BrN3O3S2 MW 528.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O3S2/c24-15-7-11-16(12-8-15)26-22(28)20-18-3-1-2-4-19(18)32-21(20)25-23(26)31-13-14-5-9-17(10-6-14)27(29)30/h5-12H,1-4,13H2
InChIKey
BMELOOKBQPKLHW-UHFFFAOYSA-N
Synonyms
498546-97-7
3(4bromophenyl)2((4nitrobenzyl)sulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(4bromophenyl)2((4nitrobenzyl)thio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3(4bromophenyl)2((4nitrophenyl)methylsulfanyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
498546977
Brc1ccc(cc1)n1c(SCc2ccc(cc2)(N+)(=O)(O))nc2c(c1=O)c1CCCCc1s2
C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Br)SCC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC23H18BrN3O3S2c241571116(12815)2622(28)2018312419(18)3221(20)2523(26)3113145917(10614)27(29)30h512H1413H2
MFCD03223135
STK045836
ZINC000001785596
ZINC01785596
ZINC1785596

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Available files

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